Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 3HY    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C7H8O2/c8-5-6-2-1-3-7(9)4-6/h1-4,8-9H,5H2
2 InChIKey InChI 1.03 OKVJCVWFVRATSG-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 OCc1cc(O)ccc1
4 SMILES CACTVS 3.385 OCc1cccc(O)c1
5 SMILES OpenEye OEToolkits 1.7.6 c1cc(cc(c1)O)CO
6 Canonical SMILES CACTVS 3.385 OCc1cccc(O)c1
7 Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc(cc(c1)O)CO